UCSF

ZINC08309316

Substance Information

In ZINC since Heavy atoms Benign functionality
July 8th, 2006 22 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.23 5.77 -43.47 3 6 1 86 323.804 7
Mid Mid (pH 6-8) 2.05 4.87 -28.85 2 6 0 93 322.796 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )